2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone

C12H20O3S — CID 114969368

IUPAC2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone
SMILESO=C(CC1CCCC1)C1CCCCS1(=O)=O
InChIInChI=1S/C12H20O3S/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-16(12,14)15/h10,12H,1-9H2
InChIKeyIDHOQCPRZPIXKO-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.10
Rot. Bonds3

About 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone

2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone (PubChem CID 114969368) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone
PubChem CID114969368
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone
SMILESO=C(CC1CCCC1)C1CCCCS1(=O)=O
InChIInChI=1S/C12H20O3S/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-16(12,14)15/h10,12H,1-9H2
InChIKeyIDHOQCPRZPIXKO-UHFFFAOYSA-N
XLogP2.10
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-2-yl)hexan-1-one
CID 114967006
1-(1,1-dioxothian-2-yl)-4,4,4-trifluorobutan-1-one
CID 114976613
(1,1-dioxothian-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 104520424
2-[(1,1-dioxothiane-2-carbonyl)-methylamino]acetic acid
CID 104517408
1-(1,1-dioxothian-2-yl)-2-(furan-3-yl)ethanone
CID 115795938
2-(2,5-difluorophenyl)-1-(1,1-dioxothian-2-yl)ethanone
CID 114964091
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanone
CID 115336272
2-(3-bromothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanone
CID 114969845
N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
CID 106627867
1-(1,1-dioxothian-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063202
1-(1,1-dioxothian-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972231
3-[(1,1-dioxothiane-2-carbonyl)amino]propanoic acid
CID 104517400

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone (CID 114969368) is 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone is O=C(CC1CCCC1)C1CCCCS1(=O)=O.
What is the InChIKey of 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone?
The InChIKey is IDHOQCPRZPIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c13-11(9-10-5-1-2-6-10)12-7-3-4-8-16(12,14)15/h10,12H,1-9H2.
What are the key properties of 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone?
2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone has a molecular weight of 244.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1,1-dioxothian-2-yl)ethanone is sourced from PubChem (CID 114969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).